- InChI
- InChI=1S/C7H12Cl2O/c1-3-4-6(9)7(10)5(2)8/h5-6H,3-4H2,1-2H3
- InChI Key
- DQJUTHPOQJSEPV-UHFFFAOYSA-N
- Formula
- C7H12Cl2O
- SMILES
- CCCC(Cl)C(=O)C(C)Cl
- Molecular Weight1
- 183.08
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -149.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.92 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.590 | Crippen Calculated Property | |
| McVol | 135.540 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| Inp | [1102.00; 1102.00] |
|
|
| Inp | 1102.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Tboil | 487.41 | K | Joback Calculated Property |
| Tc | 685.16 | K | Joback Calculated Property |
| Tfus | 248.42 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.72; 327.56] | J/mol×K | [487.41; 685.16] |
|
| Cp,gas | 268.72 | J/mol×K | 487.41 | Joback Calculated Property |
| Cp,gas | 279.89 | J/mol×K | 520.37 | Joback Calculated Property |
| Cp,gas | 290.49 | J/mol×K | 553.33 | Joback Calculated Property |
| Cp,gas | 300.54 | J/mol×K | 586.29 | Joback Calculated Property |
| Cp,gas | 310.05 | J/mol×K | 619.25 | Joback Calculated Property |
| Cp,gas | 319.06 | J/mol×K | 652.21 | Joback Calculated Property |
| Cp,gas | 327.56 | J/mol×K | 685.16 | Joback Calculated Property |
| η | [0.0003098; 0.0077940] | Pa×s | [248.42; 487.41] |
|
| η | 0.0077940 | Pa×s | 248.42 | Joback Calculated Property |
| η | 0.0031406 | Pa×s | 288.25 | Joback Calculated Property |
| η | 0.0015781 | Pa×s | 328.08 | Joback Calculated Property |
| η | 0.0009203 | Pa×s | 367.91 | Joback Calculated Property |
| η | 0.0005964 | Pa×s | 407.75 | Joback Calculated Property |
| η | 0.0004175 | Pa×s | 447.58 | Joback Calculated Property |
| η | 0.0003098 | Pa×s | 487.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptanone, 2,4-dichloro (RR, SS).
Sources
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